N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide

C17H22N2O3S — CID 94021081

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]c2c1
InChIInChI=1S/C17H22N2O3S/c1-11(2)13-3-4-14-8-16(19-15(14)7-13)17(20)18-9-12-5-6-23(21,22)10-12/h3-4,7-8,11-12,19H,5-6,9-10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyFVGZPKIITVPRHW-GFCCVEGCSA-N
MW334.44 g/mol
LogP2.46
Rot. Bonds4

About N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 94021081) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide
PubChem CID94021081
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]c2c1
InChIInChI=1S/C17H22N2O3S/c1-11(2)13-3-4-14-8-16(19-15(14)7-13)17(20)18-9-12-5-6-23(21,22)10-12/h3-4,7-8,11-12,19H,5-6,9-10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyFVGZPKIITVPRHW-GFCCVEGCSA-N
XLogP2.46
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide (CID 94021081) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide is CC(C)c1ccc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)[nH]c2c1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is FVGZPKIITVPRHW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11(2)13-3-4-14-8-16(19-15(14)7-13)17(20)18-9-12-5-6-23(21,22)10-12/h3-4,7-8,11-12,19H,5-6,9-10H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 94021081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).